2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide

C8H10F3N3O2S — CID 43552414

IUPAC2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-2-1-3-13-7(6)14-4-5-17(12,15)16/h1-3H,4-5H2,(H,13,14)(H2,12,15,16)
InChIKeySTPPDYOETLUYKT-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.80
Rot. Bonds4

About 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide

2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 43552414) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
PubChem CID43552414
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-2-1-3-13-7(6)14-4-5-17(12,15)16/h1-3H,4-5H2,(H,13,14)(H2,12,15,16)
InChIKeySTPPDYOETLUYKT-UHFFFAOYSA-N
XLogP0.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide (CID 43552414) is 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide is NS(=O)(=O)CCNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is STPPDYOETLUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)6-2-1-3-13-7(6)14-4-5-17(12,15)16/h1-3H,4-5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 269.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 43552414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).